SCHEMBL334387

SCHEMBL334387

C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 1.00
AKR1B10 O60218 2/20 0.61
AKR1B1 P15121 2/20 0.61
OR51E2 Q9H255 1/20 0.61
GPBAR1 Q8TDU6 4/20 0.59
LMNA P02545 3/20 0.59
CYP3A4 P08684 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
SHBG P04278 2/20 0.59
SERPINA6 P08185 2/20 0.59
HSD17B3 P37058 2/20 0.59
MAPK1 P28482 1/20 0.59
PMP22 Q01453 1/20 0.59
G6PD P11413 1/20 0.59
CYP2D6 P10635 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
CYP2C19 P33261 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL334388 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL13301261 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL9965232 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL4584277 1.00 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
Sulfuric Acid SCHEMBL9022915 0.94 CYP19A1 (0.88) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
Sulfuric Acid SCHEMBL7467213 0.94 CYP19A1 (0.88) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL20166975 0.82 CYP19A1 (0.70) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL1460891 0.82 CYP19A1 (0.70) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL16659742 0.82 CYP19A1 (0.69) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL11648596 0.80 CYP19A1 (0.67) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388003-B2 Δ15-D-Homosteroids with androgenic action BAYER SCHERING PHARMA AG (DE) 2008-06-17 US claimed
EP-1658306-A1 DELTA 15 -D-HOMOSTEROIDS HAVING AN ANDROGENIC EFFECT Schering AG (DE) 2006-05-24 EP claimed
US-20050131076-A1 Delta15-D-Homosteroids with androgenic action BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-06-16 US claimed
WO-2005021573-A1 Δ15-D-HOMOSTEROIDS HAVING AN ANDROGENIC EFFECT SCHERING AG (DE) 2005-03-10 WO claimed
US-5714481-A ADMINISTERING TO MAMMALIAN HOST A GLUCOSE-6-PHSOPHATE DEHYDROGENASE INHIBITOR, ANTICARCINOGENIC, ANTIOBASITY, ANTI-HYPERGLYCEMIC, ANTIAGING, ANTICHOLESTEROL AND ANTI-AUTOIMMUNE AGENT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-02-03 US claimed
EP-0066001-A1 Pharmaceutical compositions containing androstenes Laboratoire Théramex (MC) 1982-12-08 EP claimed
WO-2023056892-A1 TECHNICAL STAINS COMPRISING DNA NOVOZYMES A/S (DK) 2023-04-13 WO disclosed
US-11046728-B2 Neuroactive steroids, compositions, and uses thereof SAGE THERAPEUTICS, INC. (US) 2021-06-29 US disclosed
EP-3021852-B1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS INC (US) 2021-01-27 EP disclosed
US-20190298646-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS INITIUM INNOVATIONS, INC. 2019-10-03 US disclosed
US-20180215779-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2018-08-02 US disclosed
US-20180215779-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2018-08-02 US disclosed
US-20160152658-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2016-06-02 US disclosed
EP-0066001-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING ANDROSTENES Laboratoire Théramex (MC) 1986-05-14 EP disclosed
EP-0066001-A1 Pharmaceutical compositions containing androstenes Laboratoire Théramex (MC) 1982-12-08 EP disclosed
EP-0066001-A1 Pharmaceutical compositions containing androstenes Laboratoire Théramex (MC) 1982-12-08 EP disclosed
US-4177190-A Diamino-androstanes and a process for the preparation of the said compounds RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1979-12-04 US disclosed
US-4150126-A ANTITUMOR AND ANTICARCINOGENIC AGENTS AND ANIBODY INHIBITORS AKTIEBOLAGET LEO (SE) 1979-04-17 US disclosed
US-4110326-A STEROIDS, CURARE-TYPE RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1978-08-29 US disclosed
US-4101545-A NEUROMUSCULAR BLOCKING AGENTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1978-07-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050131076-A1 Delta15-D-Homosteroids with androgenic action CYP17A1, HSD3B2, HSD3B1 CYP19A1 16/4885AKR1B10 84/4885AKR1B1 81/4885
US-11046728-B2 Neuroactive steroids, compositions, and uses thereof ADRA1B, AVPR1B, ADRA2B CYP19A1 117/4885AKR1B10 301/4885AKR1B1 204/4885
US-20160152658-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF ADRA1B, AVPR1B, ADRA2B CYP19A1 123/4885AKR1B10 313/4885AKR1B1 208/4885
US-20180215779-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF ADRA1B, AVPR1B, ADRA2B CYP19A1 117/4885AKR1B10 301/4885AKR1B1 204/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.